Natural Product: NPC312561

Natural Product ID:  NPC312561
Common Name:   Cespitularin O
IUPAC Name:  
Synonyms:   Cespitularin O
Molecular Formula:   C20H28O3
Standard InCHIKey:  WAXTXFVEXSJBJW-CZIVKBJPSA-N
Standard InCHI:  InChI=1S/C20H28O3/c1-12-5-6-14-7-8-16-18(20(14,3)4)17(23-19(16)22)11-13(2)10-15(21)9-12/h10,14-15,17,21H,1,5-9,11H2,2-4H3/b13-10+/t14-,15+,17-/m1/s1
Canonical SMILES:  C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@H](C/C(=C/[C@H](C1)O)/C)OC3=O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO24310 Cespitularia hypotentaculata Species Xeniidae Eukaryota PMID[16933873]
NPO24482 Phyllanthus oxyphyllus Species Phyllanthaceae Eukaryota UNPD*
NPO22004 Cystodytes solitus Species Polycitoridae Eukaryota UNPD*
NPO20428 Debregeasia salicifolia Species Urticaceae Eukaryota UNPD*
NPO28702 Cyclolepis genistoides Species Asteraceae Eukaryota UNPD*
NPO25061 Lactarius glyciosmus Species Russulaceae Eukaryota UNPD*
NPO23999 Rhipidothuria racowitzai NA NA NA UNPD*
NPO25655 Pseudocyphellaria granulata Species Lobariaceae Eukaryota UNPD*
NPO2404 Heterophragma quadriloculare Species Bignoniaceae Eukaryota UNPD*
NPO25343 Tanacetum microphyllum Species Asteraceae Eukaryota UNPD*
NPO6639 Flagelloscypha pilatii Species Tricholomataceae Eukaryota UNPD*
NPO25548 Balanophora indica Species Balanophoraceae Eukaryota UNPD*
NPO25606 Aster patagonicus Species Asteraceae Eukaryota UNPD*
NPO25452 Crucigenia apiculata Species Scenedesmaceae Eukaryota UNPD*
NPO25314 Usnea ceratina Species Parmeliaceae Eukaryota UNPD*
NPO24616 Ottonia vahlii NA NA NA UNPD*
NPO23333 Michelia excelsa Species Magnoliaceae Eukaryota UNPD*
NPO25485 Agathosma lanceolata Species Rutaceae Eukaryota UNPD*
NPO24435 Beschorneria bracteata Species Asparagaceae Eukaryota UNPD*
NPO5278 Acacia cyperophylla Species Fabaceae Eukaryota UNPD*
NPO25684 Fagus dombeyi Species Fagaceae Eukaryota UNPD*
NPO25631 Picris kamtschatica Species Asteraceae Eukaryota UNPD*
NPO11177 Noctiluca scintillans Species Noctilucaceae Eukaryota UNPD*
NPO19210 Quercus lusitanica Species Fagaceae Eukaryota UNPD*
NPO24805 Thorecta reticulata Species Thorectidae Eukaryota UNPD*
NPO24310 Cespitularia hypotentaculata Species Xeniidae Eukaryota UNPD*
NPO25427 Solanum vespertilio Species Solanaceae Eukaryota UNPD*
NPO25205 Thymus borgiae Species Lamiaceae Eukaryota UNPD*
NPO5543 Persicaria tomentosa Species Polygonaceae Eukaryota UNPD*
NPO3706 Hedypnois rhagadioloides Species Asteraceae Eukaryota UNPD*
NPO25516 Dahlia sherffii Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus ED50 = 3.4 ug/ml 16933873

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC312561 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9643 High Similarity NPC281942
0.9643 High Similarity NPC232426
0.9529 High Similarity NPC141831
0.9268 High Similarity NPC193198
0.9195 High Similarity NPC115021
0.9091 High Similarity NPC53685
0.907 High Similarity NPC5509
0.8864 High Similarity NPC472814
0.8864 High Similarity NPC177037
0.8824 High Similarity NPC86316
0.8824 High Similarity NPC106416
0.881 High Similarity NPC472377
0.8791 High Similarity NPC208094
0.8791 High Similarity NPC53844
0.8706 High Similarity NPC31086
0.8636 High Similarity NPC168131
0.8636 High Similarity NPC174342
0.8605 High Similarity NPC65661
0.8605 High Similarity NPC189311
0.8605 High Similarity NPC471795
0.8602 High Similarity NPC476299
0.8602 High Similarity NPC474012
0.8588 High Similarity NPC311070
0.8571 High Similarity NPC325031
0.8571 High Similarity NPC295347
0.8571 High Similarity NPC183012
0.8556 High Similarity NPC139692
0.8539 High Similarity NPC51486
0.8539 High Similarity NPC477782
0.8523 High Similarity NPC226863
0.8523 High Similarity NPC472378
0.8506 High Similarity NPC474062
0.8495 Intermediate Similarity NPC23364
0.8495 Intermediate Similarity NPC222303
0.8488 Intermediate Similarity NPC82297
0.8478 Intermediate Similarity NPC134072
0.8478 Intermediate Similarity NPC242848
0.8478 Intermediate Similarity NPC234993
0.8462 Intermediate Similarity NPC474554
0.8452 Intermediate Similarity NPC271104
0.8444 Intermediate Similarity NPC186363
0.8444 Intermediate Similarity NPC233345
0.8444 Intermediate Similarity NPC477783
0.8444 Intermediate Similarity NPC303697
0.8434 Intermediate Similarity NPC475994
0.8434 Intermediate Similarity NPC471220
0.8427 Intermediate Similarity NPC474396
0.8427 Intermediate Similarity NPC470734
0.8427 Intermediate Similarity NPC50488
0.8427 Intermediate Similarity NPC251528
0.8404 Intermediate Similarity NPC472644
0.8391 Intermediate Similarity NPC52628
0.8391 Intermediate Similarity NPC179006
0.8391 Intermediate Similarity NPC42586
0.8391 Intermediate Similarity NPC473251
0.8391 Intermediate Similarity NPC474853
0.8387 Intermediate Similarity NPC474343
0.8387 Intermediate Similarity NPC69385
0.8387 Intermediate Similarity NPC475709
0.8372 Intermediate Similarity NPC42476
0.8372 Intermediate Similarity NPC22611
0.8372 Intermediate Similarity NPC474809
0.837 Intermediate Similarity NPC209355
0.8353 Intermediate Similarity NPC475944
0.8352 Intermediate Similarity NPC472303
0.8352 Intermediate Similarity NPC475657
0.8352 Intermediate Similarity NPC166346
0.8333 Intermediate Similarity NPC78973
0.8333 Intermediate Similarity NPC477147
0.8333 Intermediate Similarity NPC242767
0.8333 Intermediate Similarity NPC477149
0.8333 Intermediate Similarity NPC220454
0.8333 Intermediate Similarity NPC221111
0.8333 Intermediate Similarity NPC469595
0.8333 Intermediate Similarity NPC280149
0.8333 Intermediate Similarity NPC182136
0.8333 Intermediate Similarity NPC212679
0.8316 Intermediate Similarity NPC303559
0.8316 Intermediate Similarity NPC472643
0.8316 Intermediate Similarity NPC469657
0.8316 Intermediate Similarity NPC244456
0.8315 Intermediate Similarity NPC24816
0.8313 Intermediate Similarity NPC316500
0.8313 Intermediate Similarity NPC262747
0.8298 Intermediate Similarity NPC222011
0.8298 Intermediate Similarity NPC316598
0.8295 Intermediate Similarity NPC471219
0.8295 Intermediate Similarity NPC473226
0.8295 Intermediate Similarity NPC329692
0.8295 Intermediate Similarity NPC220478
0.8295 Intermediate Similarity NPC82979
0.828 Intermediate Similarity NPC470801
0.828 Intermediate Similarity NPC240673
0.828 Intermediate Similarity NPC154526
0.828 Intermediate Similarity NPC472362
0.828 Intermediate Similarity NPC472363
0.828 Intermediate Similarity NPC17578
0.8276 Intermediate Similarity NPC165064
0.8276 Intermediate Similarity NPC30486
0.8276 Intermediate Similarity NPC472326
0.8276 Intermediate Similarity NPC474865
0.8261 Intermediate Similarity NPC104925
0.8261 Intermediate Similarity NPC250075
0.8261 Intermediate Similarity NPC298973
0.8261 Intermediate Similarity NPC474555
0.8256 Intermediate Similarity NPC200513
0.8242 Intermediate Similarity NPC289479
0.8235 Intermediate Similarity NPC195424
0.8229 Intermediate Similarity NPC273005
0.8229 Intermediate Similarity NPC31058
0.8229 Intermediate Similarity NPC476081
0.8229 Intermediate Similarity NPC469606
0.8222 Intermediate Similarity NPC218927
0.8222 Intermediate Similarity NPC206001
0.8222 Intermediate Similarity NPC214387
0.8214 Intermediate Similarity NPC474816
0.8214 Intermediate Similarity NPC209135
0.8211 Intermediate Similarity NPC477720
0.8211 Intermediate Similarity NPC201406
0.8211 Intermediate Similarity NPC117685
0.8211 Intermediate Similarity NPC476767
0.8211 Intermediate Similarity NPC54705
0.8202 Intermediate Similarity NPC475678
0.8202 Intermediate Similarity NPC471796
0.8191 Intermediate Similarity NPC121402
0.8191 Intermediate Similarity NPC202705
0.8191 Intermediate Similarity NPC175351
0.8191 Intermediate Similarity NPC151681
0.8191 Intermediate Similarity NPC224356
0.8191 Intermediate Similarity NPC132753
0.8191 Intermediate Similarity NPC253826
0.8182 Intermediate Similarity NPC474860
0.8182 Intermediate Similarity NPC471300
0.8161 Intermediate Similarity NPC12283
0.8161 Intermediate Similarity NPC474193
0.8161 Intermediate Similarity NPC470948
0.8152 Intermediate Similarity NPC476598
0.8152 Intermediate Similarity NPC242069
0.8152 Intermediate Similarity NPC476597
0.8144 Intermediate Similarity NPC120321
0.814 Intermediate Similarity NPC40228
0.814 Intermediate Similarity NPC473420
0.814 Intermediate Similarity NPC14203
0.814 Intermediate Similarity NPC282293
0.814 Intermediate Similarity NPC229584
0.8132 Intermediate Similarity NPC469372
0.8132 Intermediate Similarity NPC158488
0.8132 Intermediate Similarity NPC469368
0.8132 Intermediate Similarity NPC8062
0.8132 Intermediate Similarity NPC310479
0.8125 Intermediate Similarity NPC471412
0.8118 Intermediate Similarity NPC89128
0.8118 Intermediate Similarity NPC308038
0.8118 Intermediate Similarity NPC471299
0.8111 Intermediate Similarity NPC136879
0.8111 Intermediate Similarity NPC277771
0.8111 Intermediate Similarity NPC472809
0.8111 Intermediate Similarity NPC477128
0.8111 Intermediate Similarity NPC472810
0.8111 Intermediate Similarity NPC477302
0.8111 Intermediate Similarity NPC472302
0.8111 Intermediate Similarity NPC215831
0.8111 Intermediate Similarity NPC193843
0.8111 Intermediate Similarity NPC249889
0.8105 Intermediate Similarity NPC98868
0.8105 Intermediate Similarity NPC478056
0.81 Intermediate Similarity NPC137911
0.81 Intermediate Similarity NPC228477
0.8095 Intermediate Similarity NPC7563
0.8095 Intermediate Similarity NPC187568
0.8095 Intermediate Similarity NPC41780
0.8095 Intermediate Similarity NPC320630
0.8095 Intermediate Similarity NPC116177
0.809 Intermediate Similarity NPC261721
0.809 Intermediate Similarity NPC322159
0.809 Intermediate Similarity NPC305475
0.809 Intermediate Similarity NPC131813
0.809 Intermediate Similarity NPC6979
0.809 Intermediate Similarity NPC475461
0.809 Intermediate Similarity NPC202394
0.809 Intermediate Similarity NPC250981
0.809 Intermediate Similarity NPC194417
0.8085 Intermediate Similarity NPC29952
0.8085 Intermediate Similarity NPC202833
0.8085 Intermediate Similarity NPC328371
0.8081 Intermediate Similarity NPC91034
0.8081 Intermediate Similarity NPC187435
0.8081 Intermediate Similarity NPC67321
0.8068 Intermediate Similarity NPC475100
0.8068 Intermediate Similarity NPC295799
0.8068 Intermediate Similarity NPC474359
0.8068 Intermediate Similarity NPC149869
0.8065 Intermediate Similarity NPC475572
0.8065 Intermediate Similarity NPC477130
0.8065 Intermediate Similarity NPC469697
0.8065 Intermediate Similarity NPC476596
0.8065 Intermediate Similarity NPC477129
0.8065 Intermediate Similarity NPC57117
0.8046 Intermediate Similarity NPC471298
0.8046 Intermediate Similarity NPC178676

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC312561 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8256 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7835 Intermediate Similarity NPD7640 Approved
0.7835 Intermediate Similarity NPD7639 Approved
0.7778 Intermediate Similarity NPD1694 Approved
0.7742 Intermediate Similarity NPD5785 Approved
0.7732 Intermediate Similarity NPD4225 Approved
0.7732 Intermediate Similarity NPD7638 Approved
0.7692 Intermediate Similarity NPD6684 Approved
0.7692 Intermediate Similarity NPD7146 Approved
0.7692 Intermediate Similarity NPD6409 Approved
0.7692 Intermediate Similarity NPD5330 Approved
0.7692 Intermediate Similarity NPD7521 Approved
0.7692 Intermediate Similarity NPD7334 Approved
0.7667 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD3133 Approved
0.7667 Intermediate Similarity NPD3665 Phase 1
0.7667 Intermediate Similarity NPD3666 Approved
0.764 Intermediate Similarity NPD3667 Approved
0.7579 Intermediate Similarity NPD6399 Phase 3
0.7527 Intermediate Similarity NPD6903 Approved
0.7527 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7748 Approved
0.75 Intermediate Similarity NPD3618 Phase 1
0.7476 Intermediate Similarity NPD6686 Approved
0.7474 Intermediate Similarity NPD7515 Phase 2
0.7473 Intermediate Similarity NPD4786 Approved
0.7449 Intermediate Similarity NPD6084 Phase 2
0.7449 Intermediate Similarity NPD6083 Phase 2
0.7442 Intermediate Similarity NPD8039 Approved
0.7423 Intermediate Similarity NPD5695 Phase 3
0.7423 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7115 Discovery
0.7396 Intermediate Similarity NPD5778 Approved
0.7396 Intermediate Similarity NPD5779 Approved
0.7386 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD46 Approved
0.7368 Intermediate Similarity NPD6698 Approved
0.7363 Intermediate Similarity NPD7154 Phase 3
0.7363 Intermediate Similarity NPD5362 Discontinued
0.734 Intermediate Similarity NPD6672 Approved
0.734 Intermediate Similarity NPD5737 Approved
0.7312 Intermediate Similarity NPD4623 Approved
0.7312 Intermediate Similarity NPD4519 Discontinued
0.7312 Intermediate Similarity NPD5279 Phase 3
0.7292 Intermediate Similarity NPD5693 Phase 1
0.7292 Intermediate Similarity NPD6411 Approved
0.7273 Intermediate Similarity NPD7902 Approved
0.7263 Intermediate Similarity NPD5328 Approved
0.7238 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5363 Approved
0.72 Intermediate Similarity NPD5696 Approved
0.7196 Intermediate Similarity NPD6053 Discontinued
0.7157 Intermediate Similarity NPD7632 Discontinued
0.7115 Intermediate Similarity NPD7128 Approved
0.7115 Intermediate Similarity NPD6675 Approved
0.7115 Intermediate Similarity NPD5739 Approved
0.7115 Intermediate Similarity NPD6402 Approved
0.7113 Intermediate Similarity NPD6079 Approved
0.7083 Intermediate Similarity NPD4753 Phase 2
0.7083 Intermediate Similarity NPD6101 Approved
0.7083 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD4221 Approved
0.7065 Intermediate Similarity NPD4270 Approved
0.7065 Intermediate Similarity NPD4223 Phase 3
0.7065 Intermediate Similarity NPD4269 Approved
0.7048 Intermediate Similarity NPD5701 Approved
0.7048 Intermediate Similarity NPD5697 Approved
0.7041 Intermediate Similarity NPD4202 Approved
0.7033 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD4695 Discontinued
0.7021 Intermediate Similarity NPD1696 Phase 3
0.7009 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6371 Approved
0.6981 Remote Similarity NPD6011 Approved
0.6981 Remote Similarity NPD6899 Approved
0.6981 Remote Similarity NPD7320 Approved
0.6981 Remote Similarity NPD6881 Approved
0.6979 Remote Similarity NPD5208 Approved
0.697 Remote Similarity NPD7901 Clinical (unspecified phase)
0.697 Remote Similarity NPD7900 Approved
0.6947 Remote Similarity NPD5786 Approved
0.6939 Remote Similarity NPD5281 Approved
0.6939 Remote Similarity NPD7637 Suspended
0.6939 Remote Similarity NPD5284 Approved
0.6916 Remote Similarity NPD6373 Approved
0.6916 Remote Similarity NPD6372 Approved
0.6916 Remote Similarity NPD6013 Approved
0.6916 Remote Similarity NPD6014 Approved
0.6916 Remote Similarity NPD6012 Approved
0.6915 Remote Similarity NPD3668 Phase 3
0.6915 Remote Similarity NPD4197 Approved
0.6907 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6907 Remote Similarity NPD6673 Approved
0.6907 Remote Similarity NPD6080 Approved
0.6907 Remote Similarity NPD6051 Approved
0.6907 Remote Similarity NPD6904 Approved
0.6882 Remote Similarity NPD5209 Approved
0.6875 Remote Similarity NPD3573 Approved
0.6852 Remote Similarity NPD6883 Approved
0.6852 Remote Similarity NPD7290 Approved
0.6852 Remote Similarity NPD7102 Approved
0.6848 Remote Similarity NPD4822 Approved
0.6848 Remote Similarity NPD4252 Approved
0.6848 Remote Similarity NPD4821 Approved
0.6848 Remote Similarity NPD4820 Approved
0.6848 Remote Similarity NPD4819 Approved
0.6842 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5329 Approved
0.6837 Remote Similarity NPD5207 Approved
0.6837 Remote Similarity NPD5692 Phase 3
0.6832 Remote Similarity NPD5222 Approved
0.6832 Remote Similarity NPD4697 Phase 3
0.6832 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5221 Approved
0.6827 Remote Similarity NPD5211 Phase 2
0.6813 Remote Similarity NPD4268 Approved
0.6813 Remote Similarity NPD4271 Approved
0.6813 Remote Similarity NPD3617 Approved
0.6809 Remote Similarity NPD5332 Approved
0.6809 Remote Similarity NPD5331 Approved
0.6796 Remote Similarity NPD6404 Discontinued
0.6789 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6789 Remote Similarity NPD8130 Phase 1
0.6789 Remote Similarity NPD6847 Approved
0.6789 Remote Similarity NPD6649 Approved
0.6789 Remote Similarity NPD6650 Approved
0.6789 Remote Similarity NPD6869 Approved
0.6789 Remote Similarity NPD6617 Approved
0.6786 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6778 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6774 Remote Similarity NPD4790 Discontinued
0.6774 Remote Similarity NPD5369 Approved
0.6771 Remote Similarity NPD4138 Approved
0.6771 Remote Similarity NPD5690 Phase 2
0.6771 Remote Similarity NPD4688 Approved
0.6771 Remote Similarity NPD5280 Approved
0.6771 Remote Similarity NPD6098 Approved
0.6771 Remote Similarity NPD4690 Approved
0.6771 Remote Similarity NPD4694 Approved
0.6771 Remote Similarity NPD5205 Approved
0.6771 Remote Similarity NPD4693 Phase 3
0.6771 Remote Similarity NPD4689 Approved
0.6768 Remote Similarity NPD6050 Approved
0.6768 Remote Similarity NPD5694 Approved
0.6765 Remote Similarity NPD5173 Approved
0.6765 Remote Similarity NPD4755 Approved
0.6733 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6733 Remote Similarity NPD5210 Approved
0.6733 Remote Similarity NPD4629 Approved
0.6729 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6729 Remote Similarity NPD6412 Phase 2
0.6727 Remote Similarity NPD8297 Approved
0.6727 Remote Similarity NPD6882 Approved
0.6703 Remote Similarity NPD4756 Discovery
0.6702 Remote Similarity NPD6435 Approved
0.6698 Remote Similarity NPD5141 Approved
0.6667 Remote Similarity NPD7339 Approved
0.6667 Remote Similarity NPD6942 Approved
0.6667 Remote Similarity NPD7838 Discovery
0.6667 Remote Similarity NPD8264 Approved
0.6636 Remote Similarity NPD6008 Approved
0.6635 Remote Similarity NPD4696 Approved
0.6635 Remote Similarity NPD5285 Approved
0.6635 Remote Similarity NPD5286 Approved
0.6635 Remote Similarity NPD4700 Approved
0.6634 Remote Similarity NPD6001 Approved
0.6634 Remote Similarity NPD5282 Discontinued
0.661 Remote Similarity NPD7507 Approved
0.66 Remote Similarity NPD8034 Phase 2
0.66 Remote Similarity NPD8035 Phase 2
0.66 Remote Similarity NPD7983 Approved
0.6598 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6598 Remote Similarity NPD4249 Approved
0.6574 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6571 Remote Similarity NPD5223 Approved
0.6571 Remote Similarity NPD5344 Discontinued
0.6566 Remote Similarity NPD1695 Approved
0.6549 Remote Similarity NPD6274 Approved
0.6549 Remote Similarity NPD6868 Approved
0.6538 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4251 Approved
0.6531 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4250 Approved
0.6518 Remote Similarity NPD4632 Approved
0.6512 Remote Similarity NPD7331 Phase 2
0.6509 Remote Similarity NPD5226 Approved
0.6509 Remote Similarity NPD5225 Approved
0.6509 Remote Similarity NPD4633 Approved
0.6509 Remote Similarity NPD5224 Approved
0.6505 Remote Similarity NPD7839 Suspended
0.6495 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6317 Approved
0.6489 Remote Similarity NPD5368 Approved
0.6489 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6477 Remote Similarity NPD4137 Phase 3
0.6471 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6465 Remote Similarity NPD4518 Approved
0.6458 Remote Similarity NPD4788 Approved
0.6458 Remote Similarity NPD6695 Phase 3

Structure

External Identifiers

PubChem CID   16083141
ChEMBL   CHEMBL495856
ZINC  

Physicochemical Properties

Molecular Weight:  316.20
ALogP:  2.2194
MLogP:  3.33
XLogP:  3.27
# Rotatable Bonds:  4
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs